[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate

C66H66O5 — CID 23544724

IUPAC[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate
SMILESCc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C(C)(C)c4ccc(C)cc4)ccc3Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3C(=O)Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H66O5/c1-43-13-21-47(22-14-43)63(5,6)51-29-35-55(36-30-51)69-61(67)57-41-53(65(9,10)49-25-17-45(3)18-26-49)33-39-59(57)71-60-40-34-54(66(11,12)50-27-19-46(4)20-28-50)42-58(60)62(68)70-56-37-31-52(32-38-56)64(7,8)48-23-15-44(2)16-24-48/h13-42H,1-12H3
InChIKeyKBUGRKUHPDSYGF-UHFFFAOYSA-N
MW939.25 g/mol
LogP16.45
Rot. Bonds14

About [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate

[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate (PubChem CID 23544724) has the molecular formula C66H66O5 and a molecular weight of 939.25 g/mol. Its IUPAC name is [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate.

Molecular Properties

Compound Name[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate
PubChem CID23544724
Molecular FormulaC66H66O5
Molecular Weight939.25 g/mol
Exact Mass938.49
IUPAC Name[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate
SMILESCc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C(C)(C)c4ccc(C)cc4)ccc3Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3C(=O)Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C66H66O5/c1-43-13-21-47(22-14-43)63(5,6)51-29-35-55(36-30-51)69-61(67)57-41-53(65(9,10)49-25-17-45(3)18-26-49)33-39-59(57)71-60-40-34-54(66(11,12)50-27-19-46(4)20-28-50)42-58(60)62(68)70-56-37-31-52(32-38-56)64(7,8)48-23-15-44(2)16-24-48/h13-42H,1-12H3
InChIKeyKBUGRKUHPDSYGF-UHFFFAOYSA-N
XLogP16.45
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.25
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate with MolForge

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Related Compounds

[4-(2-phenylpropan-2-yl)phenyl] 2-hydroxy-5-(2-phenylpropan-2-yl)benzoate
CID 23468248
1-O-methyl 3-O-[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzene-1,3-dicarboxylate
CID 22898067
phenyl 2-hydroxy-5-[2-(4-phenoxycarbonyloxyphenyl)propan-2-yl]benzoate
CID 21184977
tert-butyl [4-[2-(4-methylphenyl)propan-2-yl]phenyl] carbonate
CID 20610670
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
methyl acetate;[4-[2-(4-methylphenyl)propan-2-yl]phenyl] benzoate
CID 144741916
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
[4-(4-methylphenyl)phenyl] 4-tert-butylbenzoate
CID 19171847
[3-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonyloxyphenyl] benzoate;propan-2-one
CID 162200473
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] 2-hydroxybenzoate
CID 54208254
[4-[2-[2-acetyloxy-5-[2-[4-acetyloxy-3-[2-(4-acetyloxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl] acetate
CID 102067968
tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate?
The IUPAC name of [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate (CID 23544724) is [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate.
What is the SMILES notation for [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate?
The canonical SMILES for [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate is Cc1ccc(C(C)(C)c2ccc(OC(=O)c3cc(C(C)(C)c4ccc(C)cc4)ccc3Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3C(=O)Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate?
The InChIKey is KBUGRKUHPDSYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H66O5/c1-43-13-21-47(22-14-43)63(5,6)51-29-35-55(36-30-51)69-61(67)57-41-53(65(9,10)49-25-17-45(3)18-26-49)33-39-59(57)71-60-40-34-54(66(11,12)50-27-19-46(4)20-28-50)42-58(60)62(68)70-56-37-31-52(32-38-56)64(7,8)48-23-15-44(2)16-24-48/h13-42H,1-12H3.
What are the key properties of [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate?
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate has a molecular weight of 939.25 g/mol, XLogP of 16.45, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylphenyl)propan-2-yl]phenyl] 5-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]carbonylphenoxy]benzoate is sourced from PubChem (CID 23544724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).